Cas no 29334-69-8 (5-Methyl-1-(2-nitrophenyl)-3-phenyl-1H-pyrazole)
29334-69-8 structure
Product Name:5-Methyl-1-(2-nitrophenyl)-3-phenyl-1H-pyrazole
CAS No:29334-69-8
MF:C16H13N3O2
MW:279.293323278427
CID:2839594
PubChem ID:71356058
Update Time:2025-04-21
5-Methyl-1-(2-nitrophenyl)-3-phenyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 29334-69-8
- 5-Methyl-1-(2-nitrophenyl)-3-phenyl-1H-pyrazole
- DTXSID80780212
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- Inchi： 1S/C16H13N3O2/c1-12-11-14(13-7-3-2-4-8-13)17-18(12)15-9-5-6-10-16(15)19(20)21/h2-11H,1H3
- InChI Key： LQPCIIPZRKAUHA-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=CC=1N1C(C)=CC(C2C=CC=CC=2)=N1)=O
Computed Properties
- Exact Mass: 279.100776666Da
- Monoisotopic Mass: 279.100776666Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 365
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 63.6?2
5-Methyl-1-(2-nitrophenyl)-3-phenyl-1H-pyrazole Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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